1,5-dimethyl-2-phenyl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[(3-pyrrolidin-1-yl-1-piperidyl)methyl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[[3-(1-pyrrolidinyl)-1-piperidinyl]methyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[(3-pyrrolidinopiperidino)methyl]-3-pyrazolin-3-one Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC(C3)N4CCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC(C3)N4CCCC4

InChI

InChI=1S/C21H30N4O/c1-17-20(21(26)25(22(17)2)18-9-4-3-5-10-18)16-23-12-8-11-19(15-23)24-13-6-7-14-24/h3-5,9-10,19H,6-8,11-16H2,1-2H3